CID 87373234

C48H37NSi2 — CID 87373234

IUPAC—
SMILESCc1cccc([Si]c2ccc(N(c3ccc([Si]c4cccc(C)c4C)cc3)c3ccc4c5cccc6cccc(c7cccc3c74)c65)cc2)c1C
InChIInChI=1S/C48H37NSi2/c1-30-10-5-18-45(32(30)3)50-37-24-20-35(21-25-37)49(36-22-26-38(27-23-36)51-46-19-6-11-31(2)33(46)4)44-29-28-42-40-15-8-13-34-12-7-14-39(47(34)40)41-16-9-17-43(44)48(41)42/h5-29H,1-4H3
InChIKeyJMSRWBXQPBPWIQ-UHFFFAOYSA-N
MW684.00 g/mol
LogP9.75
Rot. Bonds7

About CID 87373234

CID 87373234 (PubChem CID 87373234) has the molecular formula C48H37NSi2 and a molecular weight of 684.00 g/mol.

Molecular Properties

Compound NameCID 87373234
PubChem CID87373234
Molecular FormulaC48H37NSi2
Molecular Weight684.00 g/mol
Exact Mass683.25
IUPAC Name—
SMILESCc1cccc([Si]c2ccc(N(c3ccc([Si]c4cccc(C)c4C)cc3)c3ccc4c5cccc6cccc(c7cccc3c74)c65)cc2)c1C
InChIInChI=1S/C48H37NSi2/c1-30-10-5-18-45(32(30)3)50-37-24-20-35(21-25-37)49(36-22-26-38(27-23-36)51-46-19-6-11-31(2)33(46)4)44-29-28-42-40-15-8-13-34-12-7-14-39(47(34)40)41-16-9-17-43(44)48(41)42/h5-29H,1-4H3
InChIKeyJMSRWBXQPBPWIQ-UHFFFAOYSA-N
XLogP9.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.00
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-N,3-N,10-N,10-N-tetrakis(4-methylphenyl)perylene-3,10-diamine
CID 20710089
3-N,3-N,9-N,9-N-tetrakis(4-methoxyphenyl)perylene-3,9-diamine
CID 20710079
N,N-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2(20),3,5,7(30),8,10,12,14,16,18,21,23,25(29),26-pentadecaen-10-amine
CID 23534519
4-(2-methyl-N-perylen-3-ylanilino)benzaldehyde
CID 139834063
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6,8,10(30),11(27),12,14(28),15,17,19(29),20,22,24-pentadecaen-5-amine
CID 20733595
8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diazaheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8,20-diamine
CID 143438485
3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine
CID 20789612
3,15-diphenoxy-N,N-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine
CID 23534517
N,N-bis(3-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine
CID 23534530
N,N-bis(4-ethylphenyl)pyren-1-amine
CID 15279343
4-(N-[3,15-bis(4-methoxyphenyl)-8-decacyclo[18.12.2.15,9.121,25.02,16.04,14.017,33.030,34.013,36.029,35]hexatriaconta-1(32),2,4(14),5(36),6,8,10,12,15,17(33),18,20(34),21,23,25(35),26,28,30-octadecaenyl]-4-cyanoanilino)benzonitrile
CID 170381152
N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine
CID 20733774

Frequently Asked Questions

What is the IUPAC name of CID 87373234?
The IUPAC name of CID 87373234 (CID 87373234) is not available.
What is the SMILES notation for CID 87373234?
The canonical SMILES for CID 87373234 is Cc1cccc([Si]c2ccc(N(c3ccc([Si]c4cccc(C)c4C)cc3)c3ccc4c5cccc6cccc(c7cccc3c74)c65)cc2)c1C.
What is the InChIKey of CID 87373234?
The InChIKey is JMSRWBXQPBPWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37NSi2/c1-30-10-5-18-45(32(30)3)50-37-24-20-35(21-25-37)49(36-22-26-38(27-23-36)51-46-19-6-11-31(2)33(46)4)44-29-28-42-40-15-8-13-34-12-7-14-39(47(34)40)41-16-9-17-43(44)48(41)42/h5-29H,1-4H3.
What are the key properties of CID 87373234?
CID 87373234 has a molecular weight of 684.00 g/mol, XLogP of 9.75, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87373234 is sourced from PubChem (CID 87373234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).